Preparing for ARP/wARP

Before you actually start arping and warping there are a few things to do

• Create a directory where you are going to run ARP/wARP . It is important that you create a separate directory for each project and name it appropriately.

• Copy to this directory the MTZ file containing all your necessary data. The file must contain:

  1.

  Native data structure factor amplitudes and their sigmas (these are required for any ARP/wARP application). If for some reason you want to use different sets of structure factor amplitudes for the initial map calculation - include them as well.

  2.

  An Rfree column (Even if you are not planning to use Rfree, please make sure that this column exists. We would suggest to run all your MTZ files through the CCP4 program UNIQUIEFY which will take care of lots of things).

  3.

  For ARP/wARP application #2 experimental phases and figures of merit. The CCP4 program CAD can be used to put all these together in one MTZ file.

• Run arp_warp_setup.sh and answer the questions